Wednesday, August 31, 2011

http://ChemLookup.com Compounds




CAS RN: 25935-14-2
CAS Name: 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridin-1-ium iodide
OPENEYE Name: 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridin-1-ium iodide
IUPAC Name: 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridin-1-ium iodide
SYSTEMATIC NAME: 1-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl]pyridin-1-ium iodide
MOLECULAR FORMULA: C15H9F17IN
MOLECULAR WEIGHT: 653.115984
SMILES: C1=CC=[N+](C=C1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[I-]
Structure:

CAS RN: 25709-55-1
CAS Name: 2-(1-thiolan-1-iumyl)acetic acid ethyl ester bromide
OPENEYE Name: ethyl 2-tetrahydrothiophen-1-ium-1-ylacetate bromide
IUPAC Name: ethyl 2-(thiolan-1-ium-1-yl)acetate bromide
SYSTEMATIC NAME: ethyl 2-(thiolan-1-ium-1-yl)ethanoate bromide
MOLECULAR FORMULA: C8H15BrO2S
MOLECULAR WEIGHT: 255.1725
SMILES: CCOC(=O)C[S+]1CCCC1.[Br-]
Structure:

CAS RN: 24151-54-0
CAS Name: 4-[2-acetyloxyethyl-(phenylmethyl)amino]-2-chloro-5-(2-methoxyethoxy)benzenediazonium tetrafluoroborate
OPENEYE Name: 4-[2-acetoxyethyl(benzyl)amino]-2-chloro-5-(2-methoxyethoxy)benzenediazonium tetrafluoroborate
IUPAC Name: 4-[2-acetyloxyethyl(benzyl)amino]-2-chloro-5-(2-methoxyethoxy)benzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 4-[2-acetyloxyethyl-(phenylmethyl)amino]-2-chloranyl-5-(2-methoxyethoxy)benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C20H23BClF4N3O4
MOLECULAR WEIGHT: 491.671933
SMILES: [B-](F)(F)(F)F.CC(=O)OCCN(CC1=CC=CC=C1)C2=C(C=C(C(=C2)Cl)[N+]#N)OCCOC
Structure:

CAS RN: 23519-20-2
CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxy-2H-benzotriazole-5-carboxamide dihydrochloride
OPENEYE Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-2H-benzotriazole-5-carboxamide dihydrochloride
IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-2H-benzotriazole-5-carboxamide dihydrochloride
SYSTEMATIC NAME: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-2H-benzotriazole-5-carboxamide dihydrochloride
MOLECULAR FORMULA: C15H23Cl2N5O2
MOLECULAR WEIGHT: 376.28142
SMILES: CCN1CCCC1CNC(=O)C2=CC3=NNN=C3C=C2OC.Cl.Cl
Structure:

CAS RN: 22934-70-9
CAS Name: 6,7-dimethoxy-1,3-benzodioxol-5-ol
OPENEYE Name: 6,7-dimethoxy-1,3-benzodioxol-5-ol
IUPAC Name: 6,7-dimethoxy-1,3-benzodioxol-5-ol
SYSTEMATIC NAME: 6,7-dimethoxy-1,3-benzodioxol-5-ol
MOLECULAR FORMULA: C9H10O5
MOLECULAR WEIGHT: 198.1727
SMILES: COC1=C(C=C2C(=C1OC)OCO2)O
Structure:

CAS RN: 22816-64-4
CAS Name: decyl sulfate; 5-methyl-8-quinolin-1-iumol
OPENEYE Name: decyl sulfate; 5-methylquinolin-1-ium-8-ol
IUPAC Name: decyl sulfate; 5-methylquinolin-1-ium-8-ol
SYSTEMATIC NAME: decyl sulfate; 5-methylquinolin-1-ium-8-ol
MOLECULAR FORMULA: C20H31NO5S
MOLECULAR WEIGHT: 397.52884
SMILES: CCCCCCCCCCOS(=O)(=O)[O-].CC1=C2C=CC=[NH+]C2=C(C=C1)O
Structure:

CAS RN: 22320-77-0
CAS Name: 1-(phenylmethyl)pyridin-1-ium thiocyanate
OPENEYE Name: 1-benzylpyridin-1-ium thiocyanate
IUPAC Name: 1-benzylpyridin-1-ium thiocyanate
SYSTEMATIC NAME: 1-(phenylmethyl)pyridin-1-ium thiocyanate
MOLECULAR FORMULA: C13H12N2S
MOLECULAR WEIGHT: 228.31278
SMILES: C1=CC=C(C=C1)C[N+]2=CC=CC=C2.C(#N)[S-]
Structure:

CAS RN: 21584-04-3
CAS Name: 4-[(1-ethyl-2-quinolin-1-iumyl)methylideneamino]-N,N-dimethylaniline iodide
OPENEYE Name: 4-[(1-ethylquinolin-1-ium-2-yl)methyleneamino]-N,N-dimethyl-aniline iodide
IUPAC Name: 4-[(1-ethylquinolin-1-ium-2-yl)methylideneamino]-N,N-dimethylaniline iodide
SYSTEMATIC NAME: 4-[(1-ethylquinolin-1-ium-2-yl)methylideneamino]-N,N-dimethyl-aniline iodide
MOLECULAR FORMULA: C20H22IN3
MOLECULAR WEIGHT: 431.31325
SMILES: CC[N+]1=C(C=CC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(C)C.[I-]
Structure:

CAS RN: 20210-73-5
CAS Name: 4-methylbenzenesulfonic acid [4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl] ester
OPENEYE Name: [4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl] 4-methylbenzenesulfonate
IUPAC Name: [4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H19NO7S
MOLECULAR WEIGHT: 501.50726
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N
Structure:

CAS RN: 19585-43-4
CAS Name: morpholin-4-ium tetrafluoroborate
OPENEYE Name: morpholin-4-ium tetrafluoroborate
IUPAC Name: morpholin-4-ium tetrafluoroborate
SYSTEMATIC NAME: morpholin-4-ium tetrafluoroborate
MOLECULAR FORMULA: C4H10BF4NO
MOLECULAR WEIGHT: 174.932913
SMILES: [B-](F)(F)(F)F.C1COCC[NH2+]1
Structure:

CAS RN: 767-23-7
CAS Name: morpholin-4-ium tetrafluoroborate
OPENEYE Name: morpholin-4-ium tetrafluoroborate
IUPAC Name: morpholin-4-ium tetrafluoroborate
SYSTEMATIC NAME: morpholin-4-ium tetrafluoroborate
MOLECULAR FORMULA: C4H10BF4NO
MOLECULAR WEIGHT: 174.932913
SMILES: [B-](F)(F)(F)F.C1COCC[NH2+]1
Structure:

CAS RN: 18941-13-4
CAS Name: 6-azido-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-azido-N2,N4-diisopropyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-azido-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-azido-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H16N8
MOLECULAR WEIGHT: 236.27694
SMILES: CC(C)NC1=NC(=NC(=N1)N=[N+]=[N-])NC(C)C
Structure:

CAS RN: 18941-09-8
CAS Name: 6-azido-N4-methyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-azido-N2-isopropyl-N4-methyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-azido-4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-azido-N4-methyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C7H12N8
MOLECULAR WEIGHT: 208.22378
SMILES: CC(C)NC1=NC(=NC(=N1)NC)N=[N+]=[N-]
Structure:

CAS RN: 18230-02-9
CAS Name: 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-amine
OPENEYE Name: 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-amine
IUPAC Name: 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-amine
SYSTEMATIC NAME: 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-amine
MOLECULAR FORMULA: C27H47NO
MOLECULAR WEIGHT: 401.66818
SMILES: CC1=C2C(=CC(=C1)N)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C
Structure:

CAS RN: 17774-72-0
CAS Name: 1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride
OPENEYE Name: 1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride
IUPAC Name: 1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride
SYSTEMATIC NAME: 1,3-bis[(4-butylphenyl)methyl]imidazol-1-ium chloride
MOLECULAR FORMULA: C25H33ClN2
MOLECULAR WEIGHT: 396.99592
SMILES: CCCCC1=CC=C(C=C1)CN2C=C[N+](=C2)CC3=CC=C(C=C3)CCCC.[Cl-]
Structure:

CAS RN: 17332-39-7
CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium sulfamate
OPENEYE Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinolin-2-ium sulfamate
IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium sulfamate
SYSTEMATIC NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinolin-2-ium sulfamate
MOLECULAR FORMULA: C24H32N2O7S
MOLECULAR WEIGHT: 492.58508
SMILES: CCOC1=C(C=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.NS(=O)(=O)[O-]
Structure:

CAS RN: 16376-94-6
CAS Name: 6-azido-N4-methyl-N2-(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-azido-N2-(1,1-dimethylpropyl)-N4-methyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-azido-4-N-methyl-2-N-(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-azido-N4-methyl-N2-(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H16N8
MOLECULAR WEIGHT: 236.27694
SMILES: CCC(C)(C)NC1=NC(=NC(=N1)NC)N=[N+]=[N-]
Structure:

CAS RN: 15876-57-0
CAS Name: dialuminum 2,3,4-tris(4,5-dibromo-3-oxido-6-oxo-9-xanthenyl)benzoate
OPENEYE Name: dialuminum 2,3,4-tris(4,5-dibromo-3-oxido-6-oxo-xanthen-9-yl)benzoate
IUPAC Name: dialuminum 2,3,4-tris(4,5-dibromo-3-oxido-6-oxoxanthen-9-yl)benzoate
SYSTEMATIC NAME: dialuminum 2,3,4-tris[4,5-bis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate
MOLECULAR FORMULA: C46H14Al2Br6O11+2
MOLECULAR WEIGHT: 1275.983836
SMILES: C1=CC(=C(C(=C1C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)[O-])Br)C5=C6C=CC(=O)C(=C6OC7=C5C=CC(=C7Br)[O-])Br)C8=C9C=CC(=O)C(=C9OC1=C8C=CC(=C1Br)[O-])Br)C(=O)[O-].[Al+3].[Al+3]
Structure:

CAS RN: 15122-63-1
CAS Name: aluminum bromide dihydroxide
OPENEYE Name: aluminum bromide dihydroxide
IUPAC Name: aluminum bromide dihydroxide
SYSTEMATIC NAME: aluminum bromide dihydroxide
MOLECULAR FORMULA: AlBrH2O2
MOLECULAR WEIGHT: 140.900218
SMILES: [OH-].[OH-].[Al+3].[Br-]
Structure:

CAS RN: 15060-64-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: O2PZn+
MOLECULAR WEIGHT: 128.381561
SMILES: [O-]P=O.[Zn+2]
Structure:

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